4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride
TL;DR: 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride (CAS 1231-19-2) is a chemical compound with molecular formula C16H22ClN3O2S and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride, 5-(2-diethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride, 5-[2-(Diethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione--hydrogen chloride (1/1), RefChem:285632
| Molecular Formula | C16H22ClN3O2S |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 1.609 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.11212 |
| Heavy Atoms | 23 |
| Complexity | 555.9479 |
Chemical Identifiers
| CAS Number | 1231-19-2 |
|---|---|
| SMILES | CCN(CC)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2.Cl |
Product Overview
4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride (CAS 1231-19-2), with molecular formula C16H22ClN3O2S and molecular weight 355.11 g/mol. IUPAC: 5-[2-(diethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride.
Chemical Property Profile of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride
Property Insights of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride
The XLogP value of 1.609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride?
The CAS number of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride is 1231-19-2.
What is the molecular formula of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride?
The molecular formula of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride is C16H22ClN3O2S.
What is the molecular weight of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride?
The molecular weight of 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride is 355.11 g/mol.
Where can I buy 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride?
You can request a quote for 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,6(1H,5H)-Pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.